6-(4-methylphenyl)-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-benzylsulfonylpiperazino)ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-20-7-9-22(10-8-20)23-11-12-24(29)28(25-23)18-15-26-13-16-27(17-14-26)32(30,31)19-21-5-3-2-4-6-21/h2-12H,13-19H2,1H3